trisodium (2S)-2-[[1-[(2-oxidanidyl-2-oxidanylidene-ethyl)carbamoyl]cyclohexyl]amino]butanedioate

Systemtic Name: trisodium (2S)-2-[[1-[(2-oxidanidyl-2-oxidanylidene-ethyl)carbamoyl]cyclohexyl]amino]butanedioate Openeye Name: trisodium (2S)-2-[[1-[(2-oxido-2-oxo-ethyl)carbamoyl]cyclohexyl]amino]butanedioate CAS Name: trisodium (2S)-2-[[1-[[(2-oxido-2-oxoethyl)amino]-oxomethyl]cyclohexyl]amino]butanedioate IUPAC Name: trisodium (2S)-2-[[1-[(2-oxido-2-oxoethyl)carbamoyl]cyclohexyl]amino]butanedioate Traditional Name: trisodium (2S)-2-[[1-[(2-keto-2-oxido-ethyl)carbamoyl]cyclohexyl]amino]succinate Formula: C13H17N2Na3O7 MolecularWeight: 382.25259

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC(=O)[O-])NC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC(=O)[O-])N[C@@H](CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C13H20N2O7.3Na/c16-9(17)6-8(11(20)21)15-13(4-2-1-3-5-13)12(22)14-7-10(18)19;;;/h8,15H,1-7H2,(H,14,22)(H,16,17)(H,18,19)(H,20,21);;;/q;3*+1/p-3/t8-;;;/m0.../s1